3DPM

Structure of mature CPAF complexed with lactacystin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-12
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	63.640, 112.070, 164.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.350
R-factor	0.2302
Rwork	0.230
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dor
RMSD bond length	0.007
RMSD bond angle	1.434
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.096	0.410
Number of reflections	47963
<I/σ(I)>	17	4.1
Completeness [%]	99.8	99.8
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	15.0% PEG 4000 (v/v), 0.6M MgCl2, 0.1M Tirs, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K